• Identifiers

    CAS number
    14400-67-0

    Molecular formula
    C6H8O2

    SMILES
    CC1C(=O)C=C(O1)C

    Retention indicies (RI)

    • Carbowax: 1540.0
  • Odor profile

    caramellic 88.49%
    sweet 86.05%
    fruity 74.5%
    burnt 66.26%
    roasted 66.19%
    nutty 62.57%
    buttery 54.72%
    coffee 46.71%
    coumarinic 41.67%
    strawberry 35.8%

    Scent© AI

  • Properties

    XLogP3-AA
    0.8 Well soluble in MMB, TEC, DEP

    Molecular weight
    112.13 g/mol

    Solubilities

    • Practically insoluble or insoluble
    • Soluble (in ethanol)

  • Synonyms

    • 2,5-Dimethyl-3(2H)-furanone
    • 14400-67-0
    • 2,5-Dimethylfuran-3(2H)-one
    • 3(2H)-Furanone, 2,5-dimethyl-
    • 2,5-dimethylfuran-3-one
    • 2,5-Dimethyl-2,3-dihydrofuran-3-one
    • mango furanone
    • FEMA 4101
    • 73O869QGB2
    • EINECS 238-365-5
    • 2,5-Dimethyl-3(2H)-furanone (natural)
    • 149310-61-2
    • FEMA NO. 4101
    • DTXSID40864502
    • 2H-Furan-3-one, 2,5-dimethyl
    • 2,5-DIMETHYL-3(2H)-FURANONE [FHFI]
    • (+/-)-2,5-DIMETHYL-3(2H)-FURANONE
    • 2,5-DIMETHYL-3(2H)-FURANONE, (+/-)-
    • UNII-73O869QGB2
    • 2,5-dimethyl-2H-furan-3-one
    • MFCD00052571
    • 2,5-dimethyluran-3-one
    • 2,5-dimethyl-furan-3-one
    • 2,5-Dimethyl-(2H)furanone
    • 2,5dimethyl-3(3h)-furanone
    • SCHEMBL1114753
    • 2,5-dimethyl-3(3h)-furanone
    • ASOSVCXGWPDUGN-UHFFFAOYSA-
    • DTXCID40813010
    • 2,5-dimethyl-3(2 H)-furanone
    • CHEBI:173375
    • s6298
    • AKOS006227610
    • CS-W011269
    • HY-W010553
    • SB60956
    • PD123999
    • TS-01561
    • 2,5-Dimethyl-3(2H)-furanone, AldrichCPR
    • DB-042712
    • D3795
    • NS00055438
    • D90227
    • EN300-332607
    • Q27266196
    • Z1201618283
    • InChI=1/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
    • 238-365-5
1 of 4
Name CAS Botanical Proportion
Pineapple pulp Ananas comosus (L.) Merr., fam. Bromeliaceae 1.09%